[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C21H19F2N7O — CID 118471323

IUPAC[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCc1cc(C2CN(C(=O)c3cnn(-c4ccccc4)c3)CC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C21H19F2N7O/c1-14-7-18(30-20(27-14)24-13-26-30)15-8-21(22,23)12-28(10-15)19(31)16-9-25-29(11-16)17-5-3-2-4-6-17/h2-7,9,11,13,15H,8,10,12H2,1H3
InChIKeyDXMFGJUOHFGVLW-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.88
Rot. Bonds3

About [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 118471323) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID118471323
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCc1cc(C2CN(C(=O)c3cnn(-c4ccccc4)c3)CC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C21H19F2N7O/c1-14-7-18(30-20(27-14)24-13-26-30)15-8-21(22,23)12-28(10-15)19(31)16-9-25-29(11-16)17-5-3-2-4-6-17/h2-7,9,11,13,15H,8,10,12H2,1H3
InChIKeyDXMFGJUOHFGVLW-UHFFFAOYSA-N
XLogP2.88
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 118471323) is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone is Cc1cc(C2CN(C(=O)c3cnn(-c4ccccc4)c3)CC(F)(F)C2)n2ncnc2n1.
What is the InChIKey of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is DXMFGJUOHFGVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c1-14-7-18(30-20(27-14)24-13-26-30)15-8-21(22,23)12-28(10-15)19(31)16-9-25-29(11-16)17-5-3-2-4-6-17/h2-7,9,11,13,15H,8,10,12H2,1H3.
What are the key properties of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 423.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 118471323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).